SCHEMBL6201094

SCHEMBL6201094

Nc1ccccc1NCCNc1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
APP P05067 1/20 0.46
HPGD P15428 1/20 0.46
SNCA P37840 1/20 0.46
BLM P54132 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL215272 0.90 HDAC3 (0.50) MAPTHTTKDM4EGAAALDH1A1
SCHEMBL867417 0.90 PRSS1 (0.47) MAPTHTTKDM4EGAAALDH1A1
SCHEMBL9320885 0.89 KAT2B (0.54) MAPTHTTKDM4EGAAALDH1A1
SCHEMBL28816819 0.89 MAPT (0.57) MAPTHTTKDM4EGAAALDH1A1
SCHEMBL8720375 0.88 HDAC3 (0.53) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL8306026 0.88 CA12 (0.57) MAPTHTTKDM4EGAAALDH1A1
SCHEMBL6247309 0.88 HDAC3 (0.53) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL7375160 0.86 KDM4E (0.49) MAPTHTTKDM4EGAAALDH1A1
SCHEMBL3628342 0.86 IDO1 (0.47) MAPTHTTKDM4EGAAALDH1A1
SCHEMBL30128490 0.86 KDM4E (0.49) MAPTHTTKDM4EGAAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091942-B1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH AS (DK) 2005-03-30 EP disclosed
US-6569880-B2 Guanidine derivatives NEUROSEARCH A/S (DK) 2003-05-27 US disclosed
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US disclosed
US-6380180-B1 BENZIMIDAZOLE COMPOUNDS FOR TREATMENT OF ASTHMA, VASOSPASM, MEMORY LOSS, MIGRAINE AND OTHERS DISEASES ASSOCIATED WITH POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2002-04-30 US disclosed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US disclosed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP disclosed
US-6194447-B1 ASTHMA, ANTICONVULSANTS, COGNITION ACTIVATORS, BRAIN DISORDERS, PSYCHOLOGICAL DISORDERS, CARDIOVASCULAR DISORDERS,GASTROINTESTINAL DISORDERS NEUROSEARCH A/S (DK) 2001-02-27 US disclosed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020137784-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 MAPT 918/4885HTT 1687/4885KDM4E 3300/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 MAPT 918/4885HTT 1687/4885KDM4E 3300/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.